Information card for entry 7060781

Structure parameters

• Formula: C12 H22 F6 N3 P
• Calculated formula: C12 H22 F6.012 N3 P
• Title of publication: Reactivity of 1,3-dichloro-1,3-bis(dimethylamino)-propenium salts with primary amines
• Authors of publication: Land, Michael A.; Robertson, Katherine N.; Ylijoki, Kai E. O.; Clyburne, Jason A. C.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2021
• Journal volume: 45
• Journal issue: 30
• Pages of publication: 13558 - 13570
• a: 8.0339 ± 0.0011 Å
• b: 13.7156 ± 0.0019 Å
• c: 15.213 ± 0.002 Å
• α: 90°
• β: 102.71 ± 0.001°
• γ: 90°
• Cell volume: 1635.2 ± 0.4 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1102
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No